1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

C16H20N4O2 — CID 94156418

IUPAC1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C16H20N4O2/c1-12(10-20-8-7-17-11-20)18-16(21)19-14-6-9-22-15-5-3-2-4-13(14)15/h2-5,7-8,11-12,14H,6,9-10H2,1H3,(H2,18,19,21)/t12-,14+/m1/s1
InChIKeyGJAIGPDBTJWQEC-OCCSQVGLSA-N
MW300.36 g/mol
LogP2.09
Rot. Bonds4

About 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (PubChem CID 94156418) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
PubChem CID94156418
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
SMILESC[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCOc2ccccc21
InChIInChI=1S/C16H20N4O2/c1-12(10-20-8-7-17-11-20)18-16(21)19-14-6-9-22-15-5-3-2-4-13(14)15/h2-5,7-8,11-12,14H,6,9-10H2,1H3,(H2,18,19,21)/t12-,14+/m1/s1
InChIKeyGJAIGPDBTJWQEC-OCCSQVGLSA-N
XLogP2.09
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2S)-1-imidazol-1-ylpropan-2-yl]urea
CID 94156417
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropyl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea
CID 95309946
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
1-cyclopropyl-3-[(2S)-1-imidazol-1-ylpropan-2-yl]-1-(pyridin-2-ylmethyl)urea
CID 95133629
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)pentanoic acid
CID 62366276
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
1-(3,4-dihydro-2H-chromen-4-yl)-3-[2-(dimethylamino)ethyl]urea
CID 110866006
1-[(2S)-1-imidazol-1-ylpropan-2-yl]-3-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]urea
CID 94122854

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The IUPAC name of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea (CID 94156418) is 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCOc2ccccc21.
What is the InChIKey of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
The InChIKey is GJAIGPDBTJWQEC-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-12(10-20-8-7-17-11-20)18-16(21)19-14-6-9-22-15-5-3-2-4-13(14)15/h2-5,7-8,11-12,14H,6,9-10H2,1H3,(H2,18,19,21)/t12-,14+/m1/s1.
What are the key properties of 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea?
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(2R)-1-imidazol-1-ylpropan-2-yl]urea is sourced from PubChem (CID 94156418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).